esqLABS develops and utilizes OPEN-SOURCE software to create physiologically-based Quantitative Systems Pharmacology (PB-QSP) platforms as value-generating, holistic Modeling & Simulation solutions to support our customers’ decision making process along the entire life cycle of pharmaceutical products from research through development and at the point of care.
PB-QSP Platform Development
Today, in silico studies and trial simulations already complement experimental approaches in pharmaceutical R&D. However, project workflows and current software tools usually focus on isolated aspects of drug action, such as either pharmacokinetics at the organism scale or pharmacodynamic interaction (i.e. systems-biology) on the molecular level, even though biology is always multiscale by nature.
The multi-scale physiologically-based (PB) modeling concept  in our PB-QSP platforms make it possible to integrate…
- multi-scale data from all biological scales (in-vitro, preclinical, individual and population-level clinical data)
- across multiple treatments of a therapeutic area
- build-up and transfer of actionable knowledge
- across all phases of drug research & development
… within one single platform
This unique capability allows to link experimental in vitro model systems with observations in animal experiments and clinical trials, which improves reliability of predictions for clinical studies and their outcome.
The multi-scale physiologically-based backbone structure of our QSP platforms makes workflow development for translational modeling more consistent and efficient as with common state-of-the-art Modeling & Simulation approaches.
The PB-QSP Diabetes Platform
Our sophisticated model of glucose homeostasis …
… offers a powerful platform for research, drug development, and treatment personalization in the indication of Diabetes and metabolic diseases. The PB-QSP approach covers various scales from hormone-receptor interaction to population variability within different species. The backbone of our platform is open-source and under continuous development
- Full PBPK representation of clinical biomarkers and treatments
- Glucose & HbA1c, multiple Insulins, Glucagon, GLP1, GIP, SGLT2 Inhibitors …
- … coupled with relevant PD mechanisms down to the insulin receptor level 
- Relevant preclinical species: rat, monkey & minipig 
- In-silico patient representations: healthy, T1DM, T2DM
- PK-modules: FcRn-binding, protein-Albumin binding, subcutaneous drug- and oral glucose- and meal absorption [2,4]
Informed & Validated
- With data from clinical trials, literature & partners [2,5,6]
- Tested in clinical trials within a closed-loop artificial pancreas system [5,6]
Efficiently leverage your preclinical experiments
- Physiologically-based framework to maximize learnings from animal experiments …
- … and translation to humans for a more efficient use of animal experiments
Assess in-licensing options and new drug derivatives
- Asses the effect of e.g. Fc-Fusion- or Albumin-binding approaches on compound PK & PD
- Assess potential benefit of drug combinations or multi-agonist entities
- Assess the optimal dose ratio for combination therapies
Clinical Trial Simulations
- Optimize trial design to ensure successful outcome (cohort selection, titration rules, measurement intervals and clinical endpoints)
- Assess treatment benefit in different populations (T1DM vs. T2DM)
- Benchmark precandidates vs. competitors for an optimized marketing strategy
- Optimize your medical device strategy by assessing effects of device properties on product & treatment efficacy
WITHIN A PROFESSIONAL, QUALITY-CONTROLLED PBPK/PD MODELING & SIMULATION FRAMEWORK 
List of Publicatons
- Eissing T, et al.: A computational systems biology software platform for multiscale modeling and simulation: Integrating whole-body physiology, disease biology, and molecular reaction networks. Front Physio 2011
- Schaller S, et al.: A generic integrated physiologically-based whole-body model of the glucose-insulin-glucagon regulatory system. CPT: PSP 2013
- Schaller S, Klabunde T: Towards Predictions of Clinical Trial Outcomes: Combining PBPK and QSP within a Translational Diabetes Disease Platform, PAGE Meeting 2018, Montreux
- Niederalt C, et al.: A generic whole body physiologically based pharmacokinetic model for therapeutic proteins in PK-Sim. J Pharmacokinet. Pharmacodyn. 2018
- Schaller S, et al.: Robust MPC of blood glucose using generic whole-body physiology-based PK/PD model kernels. IEEE Transactions in Biomedical Engineering 2015.
- Schaller S: Automated Optimal Glycaemic Control using a Physiology-Based Pharmacokinetic/Pharmacodynamic Model. [PhD Thesis]: RWTH Aachen University 2014.
Trainings & Workshops
esqLABS provides individual trainings for customers on PBPK and PB-QSP modeling and simulation with PK-Sim® and MoBi®, taylored to your needs, starting at your level and bringing you to the edge in this field.
On a regular basis, we conduct workshops on how to best utilize PK-Sim® and MoBi® for your model-based drug development strategy. Topics span from applications for
- ADME and DMPK characterization: Preclinical/clinical base PBPK model development, PBPK-based pediatric extrapolation, Special Populations, DDI Investigations, translational modeling for first-in-man dose predictions …
- To utilizing the power of a physiologically-based framework for therapeutic-area specific questions related to disease physiology: combining PBPK and QSP approaches for quantitative analysis of mechanisms underlying a disease and its treatment.
A list of future events can be found in our News & Events section.